dihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite

C6H18O10P4 — CID 18517202

IUPACdihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite
SMILESCCC(CC)(COP(O)OP(O)O)OP(O)OP(O)O
InChIInChI=1S/C6H18O10P4/c1-3-6(4-2,14-20(12)16-18(9)10)5-13-19(11)15-17(7)8/h7-12H,3-5H2,1-2H3
InChIKeyRDRVRGZWGOZDNW-UHFFFAOYSA-N
MW374.10 g/mol
LogP1.47
Rot. Bonds11

About dihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite

dihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite (PubChem CID 18517202) has the molecular formula C6H18O10P4 and a molecular weight of 374.10 g/mol. Its IUPAC name is dihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite.

Molecular Properties

Compound Namedihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite
PubChem CID18517202
Molecular FormulaC6H18O10P4
Molecular Weight374.10 g/mol
Exact Mass373.99
IUPAC Namedihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite
SMILESCCC(CC)(COP(O)OP(O)O)OP(O)OP(O)O
InChIInChI=1S/C6H18O10P4/c1-3-6(4-2,14-20(12)16-18(9)10)5-13-19(11)15-17(7)8/h7-12H,3-5H2,1-2H3
InChIKeyRDRVRGZWGOZDNW-UHFFFAOYSA-N
XLogP1.47
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.10
LogP ≤ 51.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite?
The IUPAC name of dihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite (CID 18517202) is dihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite.
What is the SMILES notation for dihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite?
The canonical SMILES for dihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite is CCC(CC)(COP(O)OP(O)O)OP(O)OP(O)O.
What is the InChIKey of dihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite?
The InChIKey is RDRVRGZWGOZDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18O10P4/c1-3-6(4-2,14-20(12)16-18(9)10)5-13-19(11)15-17(7)8/h7-12H,3-5H2,1-2H3.
What are the key properties of dihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite?
dihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite has a molecular weight of 374.10 g/mol, XLogP of 1.47, 11 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite is sourced from PubChem (CID 18517202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).